ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate
TL;DR: ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate (CAS 57338-20-2) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate
Also Known As: ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate, Ethyl (2Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate, 2-cyano-3-(4-nitro-phenylamino)-acrylic acid ethyl ester
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 1.97728 |
| Topological Polar Surface Area | 105.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 543.0881 |
Chemical Identifiers
| CAS Number | 57338-20-2 |
|---|---|
| SMILES | CCOC(=O)/C(=C\NC1=CC=C(C=C1)[N+](=O)[O-])/C#N |
Product Overview
ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate (CAS 57338-20-2), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate.
Chemical Property Profile of ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate
Property Insights of ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate
The XLogP value of 1.97728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate. The TPSA of 105.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate. Following Lipinski's Rule of Five, ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate?
The CAS number of ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate is 57338-20-2.
What is the molecular formula of ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate?
The molecular formula of ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate is C12H11N3O4.
What is the molecular weight of ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate?
The molecular weight of ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate is 261.07 g/mol.
Where can I buy ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate?
You can request a quote for ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (Z)-2-cyano-3-(4-nitroanilino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.